SCHEMBL11214723

SCHEMBL11214723

COCCOCOC(C)(C)[C@@H]1C(=O)N[C@@H]1CC(=O)C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11214720 1.00 GAA (0.35) GAAALDH1A1MAPTHTTMMP1
SCHEMBL11197041 1.00 GAA (0.35) GAAALDH1A1MAPTHTTMMP1
SCHEMBL10730067 0.89 HTT (0.38) GAAALDH1A1MAPTHTTMMP1
SCHEMBL10735072 0.84 HTR2A (0.37) GAAALDH1A1MAPTHTTPOLB
SCHEMBL10734182 0.84 HTR2A (0.37) GAAALDH1A1MAPTHTTPOLB
SCHEMBL11202124 0.84 ALDH1A1 (0.38) GAAALDH1A1MAPTHTTL3MBTL1
SCHEMBL11201356 0.84 GAA (0.43) GAAALDH1A1MAPTHTTMMP1
SCHEMBL11201360 0.84 GAA (0.43) GAAALDH1A1MAPTHTTMMP1
SCHEMBL11201364 0.84 GAA (0.43) GAAALDH1A1MAPTHTTMMP1
SCHEMBL11197044 0.81 GAA (0.31) GAAALDH1A1MAPTHTTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0074599-A1 5,6-cis-Carbapenem derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed